GD138351

Name:

Madhucoside A

Formula:

C68H110O35

Smiles:

CC1OC(OC2C(O)COC(OC3C(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9OC9OCC(O)(CO)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)OC(C)C(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)COC(OC3C(OC4C(O)OCC(O)C4O)OC(C)C(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

• CNP0425486

AD09184

Formula: C30H48O6

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.15	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0